(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene

C32H26N2 — CID 170381836

IUPAC(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
SMILESC=C/C=c1/c(/C=C\C)c2c(=C)c3cccc4c3c3c(cccc3n2/c1=C/C)n4-c1ccccc1
InChIInChI=1S/C32H26N2/c1-5-13-24-25(14-6-2)32-21(4)23-17-11-18-27-30(23)31-28(33(27)22-15-9-8-10-16-22)19-12-20-29(31)34(32)26(24)7-3/h5-20H,1,4H2,2-3H3/b14-6-,24-13-,26-7+
InChIKeyMKMQKEZIXGADOH-OFDTUARMSA-N
MW438.57 g/mol
LogP6.12
Rot. Bonds3

About (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene

(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene (PubChem CID 170381836) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene.

Molecular Properties

Compound Name(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
PubChem CID170381836
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
SMILESC=C/C=c1/c(/C=C\C)c2c(=C)c3cccc4c3c3c(cccc3n2/c1=C/C)n4-c1ccccc1
InChIInChI=1S/C32H26N2/c1-5-13-24-25(14-6-2)32-21(4)23-17-11-18-27-30(23)31-28(33(27)22-15-9-8-10-16-22)19-12-20-29(31)34(32)26(24)7-3/h5-20H,1,4H2,2-3H3/b14-6-,24-13-,26-7+
InChIKeyMKMQKEZIXGADOH-OFDTUARMSA-N
XLogP6.12
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene with MolForge

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Related Compounds

(4Z,5E)-2-ethenyl-4,5-di(ethylidene)-1-phenyl-3-prop-1-enylpyrrole
CID 144543415
21-ethenyl-4,22-diphenyl-20-[(Z)-prop-1-enyl]-4,15,22-triazaoctacyclo[13.13.1.02,14.03,11.05,10.016,24.019,23.025,29]nonacosa-1(29),2(14),3(11),5,7,9,12,16(24),17,19(23),20,25,27-tridecaene
CID 166881227
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120171
(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane
CID 144543391
9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;prop-1-ene
CID 145334335
2,4-dimethyl-1-phenyl-3-prop-1-enylindole
CID 123318372
ethane;(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120170
26-phenyl-18-(26-phenyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaen-18-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaene
CID 167209820
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
7-ethenyl-6-fluoranthen-2-yl-11-phenyl-8-[(Z)-prop-1-enyl]-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),7,13,15,17,19-nonaene
CID 153399328

Frequently Asked Questions

What is the IUPAC name of (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene?
The IUPAC name of (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene (CID 170381836) is (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene.
What is the SMILES notation for (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene?
The canonical SMILES for (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene is C=C/C=c1/c(/C=C\C)c2c(=C)c3cccc4c3c3c(cccc3n2/c1=C/C)n4-c1ccccc1.
What is the InChIKey of (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene?
The InChIKey is MKMQKEZIXGADOH-OFDTUARMSA-N. The full InChI is InChI=1S/C32H26N2/c1-5-13-24-25(14-6-2)32-21(4)23-17-11-18-27-30(23)31-28(33(27)22-15-9-8-10-16-22)19-12-20-29(31)34(32)26(24)7-3/h5-20H,1,4H2,2-3H3/b14-6-,24-13-,26-7+.
What are the key properties of (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene?
(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene has a molecular weight of 438.57 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene is sourced from PubChem (CID 170381836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).